When I am doing scf calculation for PBE0 and HSE hybrid functional. my job is automatically terminated after convergence achieved ?

this is input file and i have attached small portion of error file and scf.out file &CONTROL calculation = 'scf' pseudo_dir = './' outdir = './tmp' prefix = 'DPSC' etot_conv_thr = 1e-5...

08 February 2024 5,296 1 View